# generated using pymatgen data_Hf2Zr3Pb3S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.61806526 _cell_length_b 8.61806528 _cell_length_c 6.01304465 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999616 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2Zr3Pb3S _chemical_formula_sum 'Hf4 Zr6 Pb6 S2' _cell_volume 386.76274610 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.66666700 0.33333300 0.00000000 1.0 Hf Hf1 1 0.33333300 0.66666700 0.00000000 1.0 Hf Hf2 1 0.33333300 0.66666700 0.50000000 1.0 Hf Hf3 1 0.66666700 0.33333300 0.50000000 1.0 Zr Zr4 1 0.74989232 0.74989232 0.75000000 1.0 Zr Zr5 1 0.25010768 1.00000000 0.75000000 1.0 Zr Zr6 1 1.00000000 0.25010768 0.75000000 1.0 Zr Zr7 1 0.25010768 0.25010768 0.25000000 1.0 Zr Zr8 1 0.74989232 0.00000000 0.25000000 1.0 Zr Zr9 1 0.00000000 0.74989232 0.25000000 1.0 Pb Pb10 1 0.39920885 0.39920885 0.75000000 1.0 Pb Pb11 1 0.60079115 0.00000000 0.75000000 1.0 Pb Pb12 1 0.00000000 0.60079115 0.75000000 1.0 Pb Pb13 1 0.60079115 0.60079115 0.25000000 1.0 Pb Pb14 1 0.39920885 1.00000000 0.25000000 1.0 Pb Pb15 1 1.00000000 0.39920885 0.25000000 1.0 S S16 1 0.00000000 0.00000000 0.00000000 1.0 S S17 1 0.00000000 0.00000000 0.50000000 1.0